CAREER: Development and Validation of Surface Chemistry Models for Catalytic Combustion and Hydrogen Production

CAREER奖的研究部分涉及与能量转换催化反应器建模相关的问题，包括燃气轮机的催化燃烧器和为燃料电池生产氢的催化燃料处理器。产品包括将热重法和程控温度反应器研究与一维瞬态流动模型相结合的方法，以验证甲烷转化的多步表面化学机制；氧化锆钯催化剂上甲烷氧化和镁铝酸盐镍基催化剂上重整和部分氧化的详细表面化学机理建立了支撑催化剂在整体反应器中流动的二维瞬态模型，并通过平板反应器实验进行了验证。这项与能源生产有关的催化反应研究计划与教育组成部分相辅相成，包括开发基于互联网的工作手册，向高中班级介绍与能源生产和使用有关的环境问题。这些都是与能源与环境工程中心共同开发的。

The research portion of this CAREER award addresses issues related to modeling of catalytic reactors for energy conversion, including catalytic combustors for gas turbines and catalytic fuel processors that produce hydrogen for fuel cells. Products include a methodology combining thermogravimetric and temperature-programmed reactor studies with a 1-D transient flow model to validate multistep surface chemistry mechanisms for methane conversion; detailed surface-chemistry mechanisms for methane oxidation over zirconia-supported palladium catalysts and reforming and partial oxidation over magnesium-aluminate-supported nickel-based catalysts; and a two-dimensional transient model for flows over supported catalysts in a monolith reactor, which is validated with flat-plate reactor experiments.This research program on catalytic reactions related to energy production is complemented with an education component involving development of internet-based workbooks to introduce high-school classes to environmental issues related to energy production and usage. These are developed in conjunction with the Center for Energy and Environmental Engineering.